CID 21149803

33we9m2gsl

Structural Information

Molecular Formula
C19H19F23NO3
SMILES
C[N+](CCO)(CCO)CC(CC(C(C(C(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C19H19F23NO3/c1-43(2-4-44,3-5-45)7-8(46)6-9(20,21)11(23,24)13(27,28)15(31,32)17(35,36)16(33,34)14(29,30)12(25,26)10(22,18(37,38)39)19(40,41)42/h8,44-46H,2-7H2,1H3/q+1
InChIKey
GQRHHQSDLQVIGL-UHFFFAOYSA-N
Compound name
bis(2-hydroxyethyl)-[4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,13,13,13-icosafluoro-2-hydroxy-12-(trifluoromethyl)tridecyl]-methylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

746.0998 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 747.10708 224.8
[M+Na]+ 769.08902 225.5
[M-H]- 745.09252 237.3
[M+NH4]+ 764.13362 234.0
[M+K]+ 785.06296 238.9
[M+H-H2O]+ 729.09706 205.3
[M+HCOO]- 791.09800 238.6
[M+CH3COO]- 805.11365 263.0
[M+Na-2H]- 767.07447 220.4
[M]+ 746.09925 219.8
[M]- 746.10035 219.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.